methyl 3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S/c1-29-19(26)13-8-12(9-15(10-13)24(27)28)18(25)21-14-2-3-16-17(11-14)31-20(22-16)23-4-6-30-7-5-23/h2-3,8-11H,4-7H2,1H3,(H,21,25)