2-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C17H19N3O5S/c1-25-17(24)14-10-4-2-3-5-12(10)26-15(14)19-13(21)7-9-20-11(16(22)23)6-8-18-20/h6,8H,2-5,7,9H2,1H3,(H,19,21)(H,22,23)