4-(2-dimethylaminoethyl)-5-oxidanylidene-6H-benzo[b][1]benzothiepine-2-carboxylate

Systemtic Name: 4-(2-dimethylaminoethyl)-5-oxidanylidene-6H-benzo[b][1]benzothiepine-2-carboxylate Openeye Name: 4-(2-dimethylaminoethyl)-5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylate CAS Name: 4-(2-dimethylaminoethyl)-5-oxo-6H-benzo[b][1]benzothiepin-2-carboxylate IUPAC Name: 4-(2-dimethylaminoethyl)-5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylate Traditional Name: 4-(2-dimethylaminoethyl)-5-keto-6H-benzo[b][1]benzothiepin-2-carboxylate Formula: C19H18NO3S- MolecularWeight: 340.41612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C2C(=O)CC3=CC=CC=C3SC2=CC(=C1)C(=O)[O-]

Isomeric SMILES

CN(C)CCC1=C2C(=O)CC3=CC=CC=C3SC2=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C19H19NO3S/c1-20(2)8-7-13-9-14(19(22)23)11-17-18(13)15(21)10-12-5-3-4-6-16(12)24-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,23)/p-1