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

Systemtic Name: 4-[[3-[(4-ethoxycarbonylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[(4-ethoxycarbonylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[(4-ethoxycarbonylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[(4-ethoxycarbonylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[(4-carbethoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-keto-butyric acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O

InChI

InChI=1S/C23H26N2O6S/c1-2-31-23(30)14-8-10-15(11-9-14)24-21(29)20-16-6-4-3-5-7-17(16)32-22(20)25-18(26)12-13-19(27)28/h8-11H,2-7,12-13H2,1H3,(H,24,29)(H,25,26)(H,27,28)