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

Systemtic Name: ethyl 3-[(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoate Openeye Name: ethyl 3-[(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoate CAS Name: 3-[[[(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoate Traditional Name: 3-[(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)carbamoylamino]benzoic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C(=O)OCC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C(=O)OCC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H23N3O4S/c1-3-28-20-15-18(12-13-22(20)33-21-11-6-5-10-19(21)23(28)29)27-25(31)26-17-9-7-8-16(14-17)24(30)32-4-2/h5-15H,3-4H2,1-2H3,(H2,26,27,31)