N-[2-[(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)amino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)amino]ethyl]thiophene-2-carboxamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)CNC(=O)C3=CC=CS3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)CNC(=O)C3=CC=CS3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C21H17N3O3S2/c1-24-15-11-13(23-19(25)12-22-20(26)18-7-4-10-28-18)8-9-17(15)29-16-6-3-2-5-14(16)21(24)27/h2-11H,12H2,1H3,(H,22,26)(H,23,25)