4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)carbonylamino]benzoic acid Openeye Name: 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carbonyl)amino]benzoic acid CAS Name: 4-[[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carbonyl)amino]benzoic acid Traditional Name: 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-carbonyl)amino]benzoic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCSC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCCSC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19NO3S/c1-12-3-2-10-24-17-11-14(6-9-16(12)17)18(21)20-15-7-4-13(5-8-15)19(22)23/h4-9,11-12H,2-3,10H2,1H3,(H,20,21)(H,22,23)