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

Systemtic Name: ethyl 3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(5-methyl-2-thienyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(5-methyl-2-thiophenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(5-methyl-2-thienyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c1-3-26-17(23)12-6-11(7-13(8-12)21(24)25)16(22)20-18-19-14(9-27-18)15-5-4-10(2)28-15/h4-9H,3H2,1-2H3,(H,19,20,22)