5-[[4-(3-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(3-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(3-bromophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-3-methyl-5-oxo-pentanoic acid CAS Name: 5-[[4-(3-bromophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-3-methyl-5-oxopentanoic acid IUPAC Name: 5-[[4-(3-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid Traditional Name: 5-[[4-(3-bromophenyl)-3-carbethoxy-2-thienyl]amino]-5-keto-3-methyl-valeric acid Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)Br)NC(=O)CC(C)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)Br)NC(=O)CC(C)CC(=O)O

InChI

InChI=1S/C19H20BrNO5S/c1-3-26-19(25)17-14(12-5-4-6-13(20)9-12)10-27-18(17)21-15(22)7-11(2)8-16(23)24/h4-6,9-11H,3,7-8H2,1-2H3,(H,21,22)(H,23,24)