ethyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-3-26-18(23)12-6-11(7-14(8-12)21(24)25)17(22)20-13-4-5-15-16(9-13)27-10(2)19-15/h4-9H,3H2,1-2H3,(H,20,22)