ethyl 3-[(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 3-[(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoate Openeye Name: ethyl 3-[(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoate CAS Name: 3-[[[(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoate Traditional Name: 3-[(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C24H21N3O4S/c1-3-31-23(29)15-7-6-8-16(13-15)25-24(30)26-17-11-12-21-19(14-17)27(2)22(28)18-9-4-5-10-20(18)32-21/h4-14H,3H2,1-2H3,(H2,25,26,30)