methyl 4-[3-(4-methoxyphenyl)-4,7-bis(oxidanylidene)-2-sulfanylidene-1,3-diazepin-5-yl]benzoate

Systemtic Name: methyl 4-[3-(4-methoxyphenyl)-4,7-bis(oxidanylidene)-2-sulfanylidene-1,3-diazepin-5-yl]benzoate Openeye Name: methyl 4-[3-(4-methoxyphenyl)-4,7-dioxo-2-thioxo-1,3-diazepin-5-yl]benzoate CAS Name: 4-[3-(4-methoxyphenyl)-4,7-dioxo-2-sulfanylidene-1,3-diazepin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-methoxyphenyl)-4,7-dioxo-2-sulfanylidene-1,3-diazepin-5-yl]benzoate Traditional Name: 4-[4,7-diketo-3-(4-methoxyphenyl)-2-thioxo-1,3-diazepin-5-yl]benzoic acid methyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC(=O)NC2=S)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CC(=O)NC2=S)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H16N2O5S/c1-26-15-9-7-14(8-10-15)22-18(24)16(11-17(23)21-20(22)28)12-3-5-13(6-4-12)19(25)27-2/h3-11H,1-2H3,(H,21,23,28)