4-[[3-aminocarbonyl-4-(4-butylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-aminocarbonyl-4-(4-butylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(4-butylphenyl)-3-carbamoyl-2-thienyl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(4-butylphenyl)-3-carbamoyl-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(4-butylphenyl)-3-carbamoylthiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(4-butylphenyl)-3-carbamoyl-2-thienyl]amino]-4-keto-butyrate Formula: C19H21N2O4S- MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H22N2O4S/c1-2-3-4-12-5-7-13(8-6-12)14-11-26-19(17(14)18(20)25)21-15(22)9-10-16(23)24/h5-8,11H,2-4,9-10H2,1H3,(H2,20,25)(H,21,22)(H,23,24)/p-1