2-[2-[[3-(3-bromophenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[3-(3-bromophenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[3-(3-bromobenzoyl)-5-ethyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[3-[(3-bromophenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[3-(3-bromobenzoyl)-5-ethylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[3-(3-bromobenzoyl)-5-ethyl-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C17H16BrNO4S2 MolecularWeight: 442.34724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrNO4S2/c1-2-12-7-13(16(23)10-4-3-5-11(18)6-10)17(25-12)19-14(20)8-24-9-15(21)22/h3-7H,2,8-9H2,1H3,(H,19,20)(H,21,22)