methyl 4-[(4-methyl-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-methyl-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methyl-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(4-methyl-6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(4-methyl-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c1-9-7-12(20(23)24)8-13-14(9)18-17(26-13)19-15(21)10-3-5-11(6-4-10)16(22)25-2/h3-8H,1-2H3,(H,18,19,21)