ethyl 3-nitro-5-[[5-(phenylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[5-(phenylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: ethyl 3-[(5-benzylthiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[5-(phenylmethyl)-2-thiazolyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-benzyl-1,3-thiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-benzylthiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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