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

Systemtic Name: methyl 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-[4-(2-methylthiazol-4-yl)phenyl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[4-(2-methyl-4-thiazolyl)phenyl]ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[4-(2-methylthiazol-4-yl)phenyl]ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c1-13-23-19(12-30-13)15-5-3-14(4-6-15)7-8-22-20(25)16-9-17(21(26)29-2)11-18(10-16)24(27)28/h3-6,9-12H,7-8H2,1-2H3,(H,22,25)