methyl 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C11H12BrNO4S MolecularWeight: 334.18628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

COC(=O)C(CO)NC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C11H12BrNO4S/c1-17-11(16)8(6-14)13-10(15)5-3-7-2-4-9(12)18-7/h2-5,8,14H,6H2,1H3,(H,13,15)/b5-3+