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

Systemtic Name: ethyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-3-27-19(24)13-8-12(9-14(10-13)22(25)26)18(23)21(2)11-17-20-15-6-4-5-7-16(15)28-17/h4-10H,3,11H2,1-2H3