(2S)-2-(2-chloranylethanoylamino)-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid

Systemtic Name: (2S)-2-(2-chloranylethanoylamino)-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid Openeye Name: (2S)-2-[(2-chloroacetyl)amino]-3-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)amino]-3-[(6-methoxy-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: (2S)-2-[(2-chloroacetyl)amino]-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(2-chloroacetyl)amino]-3-[(6-methoxy-2-methyl-4-quinolyl)thio]propionic acid Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)O)NC(=O)CCl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SC[C@H](C(=O)O)NC(=O)CCl

InChI

InChI=1S/C16H17ClN2O4S/c1-9-5-14(11-6-10(23-2)3-4-12(11)18-9)24-8-13(16(21)22)19-15(20)7-17/h3-6,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)/t13-/m1/s1