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

Systemtic Name: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbomethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-keto-butyrate Formula: C15H18NO5S- MolecularWeight: 324.37212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H19NO5S/c1-21-15(20)13-9-5-3-2-4-6-10(9)22-14(13)16-11(17)7-8-12(18)19/h2-8H2,1H3,(H,16,17)(H,18,19)/p-1