ethyl 3-(benzo[b][1,4]benzothiazepin-6-ylamino)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(benzo[b][1,4]benzothiazepin-6-ylamino)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(benzo[b][1,4]benzothiazepin-6-ylamino)-3-oxo-propanoate CAS Name: 3-(6-benzo[b][1,4]benzothiazepinylamino)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(benzo[b][1,4]benzothiazepin-6-ylamino)-3-oxopropanoate Traditional Name: 3-(benzo[b][1,4]benzothiazepin-6-ylamino)-3-keto-propionic acid ethyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=NC2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CCOC(=O)CC(=O)NC1=NC2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C18H16N2O3S/c1-2-23-17(22)11-16(21)20-18-12-7-3-5-9-14(12)24-15-10-6-4-8-13(15)19-18/h3-10H,2,11H2,1H3,(H,19,20,21)