2-[(E)-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 2-[(E)-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylhydrazinylidene)methyl]benzoic acid Openeye Name: 2-[(E)-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylhydrazono)methyl]benzoic acid CAS Name: 2-[(E)-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylhydrazinylidene)methyl]benzoic acid Traditional Name: 2-[(E)-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylhydrazono)methyl]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N/N=C/C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H16N2O3S/c20-16(15-9-11-5-2-4-8-14(11)23-15)19-18-10-12-6-1-3-7-13(12)17(21)22/h1,3,6-7,9-10H,2,4-5,8H2,(H,19,20)(H,21,22)/b18-10+