methyl 6-chloranyl-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-9-carboxylate

Systemtic Name: methyl 6-chloranyl-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-9-carboxylate Openeye Name: methyl 6-chloro-11,11-dioxo-benzo[b][1,4]benzothiazepine-9-carboxylate CAS Name: 6-chloro-11,11-dioxo-9-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-11,11-dioxobenzo[b][1,4]benzothiazepine-9-carboxylate Traditional Name: 6-chloro-11,11-diketo-benzo[b][1,4]benzothiazepine-9-carboxylic acid methyl ester Formula: C15H10ClNO4S MolecularWeight: 335.7622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NC3=CC=CC=C3S2(=O)=O)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NC3=CC=CC=C3S2(=O)=O)Cl

InChI

InChI=1S/C15H10ClNO4S/c1-21-15(18)9-6-7-10-13(8-9)22(19,20)12-5-3-2-4-11(12)17-14(10)16/h2-8H,1H3