4-[(2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]benzoic acid

Systemtic Name: 4-[(2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]benzoic acid Openeye Name: 4-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)benzoic acid CAS Name: 4-[(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]benzoic acid IUPAC Name: 4-(2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)benzoic acid Traditional Name: 4-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15NO3S/c17-15-13(11-3-1-2-4-12(11)21-15)14(18)9-5-7-10(8-6-9)16(19)20/h5-8H,1-4,17H2,(H,19,20)