2-[methyl-(phenylmethyl)amino]ethyl 1-[2,3-bis(chloranyl)phenyl]-3-methyl-11,11-bis(oxidanylidene)-4,5-dihydro-1H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl 1-[2,3-bis(chloranyl)phenyl]-3-methyl-11,11-bis(oxidanylidene)-4,5-dihydro-1H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylate Openeye Name: 2-[benzyl(methyl)amino]ethyl 1-(2,3-dichlorophenyl)-3-methyl-11,11-dioxo-4,5-dihydro-1H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylate CAS Name: 1-(2,3-dichlorophenyl)-3-methyl-11,11-dioxo-4,5-dihydro-1H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl 1-(2,3-dichlorophenyl)-3-methyl-11,11-dioxo-4,5-dihydro-1H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylate Traditional Name: 1-(2,3-dichlorophenyl)-11,11-diketo-3-methyl-4,5-dihydro-1H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C30H28Cl2N2O5S MolecularWeight: 599.52472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)COC3=CC=CC=C3S2(=O)=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)OCCN(C)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)COC3=CC=CC=C3S2(=O)=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)OCCN(C)CC5=CC=CC=C5

InChI

InChI=1S/C30H28Cl2N2O5S/c1-19-26(30(35)38-16-15-34(2)17-20-9-4-3-5-10-20)27(21-11-8-12-22(31)28(21)32)29-23(33-19)18-39-24-13-6-7-14-25(24)40(29,36)37/h3-14,27,33H,15-18H2,1-2H3