2-chloranyl-5-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyloxy)propanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyloxy)propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methoxy]propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyloxy)propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)propanoylamino]benzoic acid Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C19H18ClNO5S/c1-10(17(22)21-12-6-7-14(20)13(9-12)18(23)24)26-19(25)16-8-11-4-2-3-5-15(11)27-16/h6-10H,2-5H2,1H3,(H,21,22)(H,23,24)