methyl 7-chloranyl-1,1-bis(oxidanylidene)-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-chloranyl-1,1-bis(oxidanylidene)-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-chloro-1,1-dioxo-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-chloro-1,1-dioxo-5-(1-pyrrolidinyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-1,1-dioxo-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 7-chloro-1,1-diketo-5-pyrrolidino-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C16H18ClNO4S MolecularWeight: 355.83642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Cl)S(=O)(=O)CC1)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Cl)S(=O)(=O)CC1)N3CCCC3

InChI

InChI=1S/C16H18ClNO4S/c1-22-16(19)12-6-9-23(20,21)14-5-4-11(17)10-13(14)15(12)18-7-2-3-8-18/h4-5,10H,2-3,6-9H2,1H3