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

Systemtic Name: ethyl 3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-methyl-1,3-benzothiazol-2-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=NC3=C(C=CC=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(C=CC=C3S2)C)[N+](=O)[O-]

InChI

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