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

Systemtic Name: 4-[[3-[(2-ethoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(2-ethoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(2-ethoxyanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(2-ethoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(o-phenetylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]butyrate Formula: C22H25N2O5S- MolecularWeight: 429.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H26N2O5S/c1-2-29-16-10-7-6-9-15(16)23-21(28)20-14-8-4-3-5-11-17(14)30-22(20)24-18(25)12-13-19(26)27/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,23,28)(H,24,25)(H,26,27)/p-1