4-chloranyl-2-[[[[(Z)-3-methoxy-2-methyl-prop-2-enoyl]amino]-sulfanyl-methyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[[[(Z)-3-methoxy-2-methyl-prop-2-enoyl]amino]-sulfanyl-methyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[[[(Z)-3-methoxy-2-methyl-prop-2-enoyl]amino]-sulfanyl-methyl]amino]benzoic acid CAS Name: 4-chloro-2-[[mercapto-[[(Z)-3-methoxy-2-methyl-1-oxoprop-2-enyl]amino]methyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[[[(Z)-3-methoxy-2-methylprop-2-enoyl]amino]-sulfanylmethyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[mercapto-[[(Z)-3-methoxy-2-methyl-acryloyl]amino]methyl]amino]benzoic acid Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC)C(=O)NC(NC1=C(C=CC(=C1)Cl)C(=O)O)S

Isomeric SMILES

C/C(=C/OC)/C(=O)NC(NC1=C(C=CC(=C1)Cl)C(=O)O)S

InChI

InChI=1S/C13H15ClN2O4S/c1-7(6-20-2)11(17)16-13(21)15-10-5-8(14)3-4-9(10)12(18)19/h3-6,13,15,21H,1-2H3,(H,16,17)(H,18,19)/b7-6-