2-(butylamino)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(butylamino)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(butylamino)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoic acid CAS Name: 2-(butylamino)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 2-(butylamino)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 2-(butylamino)-4-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)C(=O)O

Isomeric SMILES

CCCCNC(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)C(=O)O

InChI

InChI=1S/C19H28N2O5S/c1-3-5-10-20-13(18(23)24)11-15(22)21-17-16(19(25)26-4-2)12-8-6-7-9-14(12)27-17/h13,20H,3-11H2,1-2H3,(H,21,22)(H,23,24)