ethyl 3-[[5-chloranyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]amino]but-3-enoate

Systemtic Name: ethyl 3-[[5-chloranyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]amino]but-3-enoate Openeye Name: ethyl 3-[[5-chloro-4-(p-tolylsulfonyl)thiazol-2-yl]amino]but-3-enoate CAS Name: 3-[[5-chloro-4-(4-methylphenyl)sulfonyl-2-thiazolyl]amino]-3-butenoic acid ethyl ester IUPAC Name: ethyl 3-[[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]amino]but-3-enoate Traditional Name: 3-[(5-chloro-4-tosyl-thiazol-2-yl)amino]but-3-enoic acid ethyl ester Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C)NC1=NC(=C(S1)Cl)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CC(=C)NC1=NC(=C(S1)Cl)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H17ClN2O4S2/c1-4-23-13(20)9-11(3)18-16-19-15(14(17)24-16)25(21,22)12-7-5-10(2)6-8-12/h5-8H,3-4,9H2,1-2H3,(H,18,19)