methyl 4-(4-oxidanylidene-2-sulfanylidene-1,3-thiazepan-3-yl)benzoate

Systemtic Name: methyl 4-(4-oxidanylidene-2-sulfanylidene-1,3-thiazepan-3-yl)benzoate Openeye Name: methyl 4-(4-oxo-2-thioxo-1,3-thiazepan-3-yl)benzoate CAS Name: 4-(4-oxo-2-sulfanylidene-1,3-thiazepan-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-oxo-2-sulfanylidene-1,3-thiazepan-3-yl)benzoate Traditional Name: 4-(4-keto-2-thioxo-1,3-thiazepan-3-yl)benzoic acid methyl ester Formula: C13H13NO3S2 MolecularWeight: 295.37722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CCCSC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)CCCSC2=S

InChI

InChI=1S/C13H13NO3S2/c1-17-12(16)9-4-6-10(7-5-9)14-11(15)3-2-8-19-13(14)18/h4-7H,2-3,8H2,1H3