2-[3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-carbomethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C16H17N3O5S/c1-24-16(23)13-9-3-2-4-11(9)25-14(13)18-12(20)6-8-19-10(15(21)22)5-7-17-19/h5,7H,2-4,6,8H2,1H3,(H,18,20)(H,21,22)