methyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(2-methylthiazol-4-yl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(2-methyl-4-thiazolyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-methylthiazol-4-yl)benzyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H17N3O5S/c1-12-22-18(11-29-12)14-5-3-13(4-6-14)10-21-19(24)15-7-16(20(25)28-2)9-17(8-15)23(26)27/h3-9,11H,10H2,1-2H3,(H,21,24)