[5-oxidanylidene-4-(phenylcarbonylcarbamoyloxymethyl)-2,3-dihydro-1-benzothiepin-4-yl]methylcarbamoyl benzoate

Systemtic Name: [5-oxidanylidene-4-(phenylcarbonylcarbamoyloxymethyl)-2,3-dihydro-1-benzothiepin-4-yl]methylcarbamoyl benzoate Openeye Name: [4-(benzoylcarbamoyloxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methylcarbamoyl benzoate CAS Name: benzoic acid [[[4-[[benzamido(oxo)methoxy]methyl]-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methylamino]-oxomethyl] ester IUPAC Name: [4-(benzoylcarbamoyloxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methylcarbamoyl benzoate Traditional Name: benzoic acid [4-(benzoylcarbamoyloxymethyl)-5-keto-2,3-dihydro-1-benzothiepin-4-yl]methylcarbamoyl ester Formula: C28H24N2O7S MolecularWeight: 532.56436

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C(=O)C1(CNC(=O)OC(=O)C3=CC=CC=C3)COC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CSC2=CC=CC=C2C(=O)C1(CNC(=O)OC(=O)C3=CC=CC=C3)COC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H24N2O7S/c31-23-21-13-7-8-14-22(21)38-16-15-28(23,17-29-26(34)37-25(33)20-11-5-2-6-12-20)18-36-27(35)30-24(32)19-9-3-1-4-10-19/h1-14H,15-18H2,(H,29,34)(H,30,32,35)