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

Systemtic Name: 5-azanyl-2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-5-keto-valeric acid Formula: C12H13BrN2O4S MolecularWeight: 361.21162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O4S/c13-9-4-1-7(20-9)2-6-11(17)15-8(12(18)19)3-5-10(14)16/h1-2,4,6,8H,3,5H2,(H2,14,16)(H,15,17)(H,18,19)/b6-2+