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

Systemtic Name: methyl 3-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-[(4-chlorophenyl)methyl]thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-[(4-chlorophenyl)methyl]-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(4-chlorobenzyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H14ClN3O5S MolecularWeight: 431.84956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O5S/c1-28-18(25)13-7-12(8-15(9-13)23(26)27)17(24)22-19-21-10-16(29-19)6-11-2-4-14(20)5-3-11/h2-5,7-10H,6H2,1H3,(H,21,22,24)