3-acetamido-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-acetamido-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-acetamido-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-acetamido-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid IUPAC Name: 3-acetamido-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-acetamido-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15NO3S/c1-10(19)18-14-6-7-15-12(8-14)4-2-11-3-5-13(17(20)21)9-16(11)22-15/h3,5-9H,2,4H2,1H3,(H,18,19)(H,20,21)