6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: 6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 5-allyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxylate IUPAC Name: 6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-allyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylate Formula: C17H12NO3S- MolecularWeight: 310.34708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)[O-])SC3=CC=CC=C3C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)[O-])SC3=CC=CC=C3C1=O

InChI

InChI=1S/C17H13NO3S/c1-2-9-18-13-10-11(17(20)21)7-8-15(13)22-14-6-4-3-5-12(14)16(18)19/h2-8,10H,1,9H2,(H,20,21)/p-1