ethyl 3-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O5S/c1-2-31-23(28)15-11-14(12-16(13-15)26(29)30)21(27)24-18-8-4-3-7-17(18)22-25-19-9-5-6-10-20(19)32-22/h3-13H,2H2,1H3,(H,24,27)