4-azanyl-2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-keto-butyric acid Formula: C11H11BrN2O4S MolecularWeight: 347.18504

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C=CC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)/C=C/C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C11H11BrN2O4S/c12-8-3-1-6(19-8)2-4-10(16)14-7(11(17)18)5-9(13)15/h1-4,7H,5H2,(H2,13,15)(H,14,16)(H,17,18)/b4-2+