4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(3-carbethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-keto-butyric acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H21NO5S/c1-2-22-16(21)14-10-6-4-3-5-7-11(10)23-15(14)17-12(18)8-9-13(19)20/h2-9H2,1H3,(H,17,18)(H,19,20)