8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid IUPAC Name: 8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 8-methyl-6-propylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)O

Isomeric SMILES

CCC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17NO2S/c1-3-4-14-13-9-11(2)5-7-16(13)22-17-8-6-12(18(20)21)10-15(17)19-14/h4-10,19H,3H2,1-2H3,(H,20,21)