[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: 3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3,4-dimethoxyphenyl)acrylic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N3O7S/c1-28-15-7-3-12(9-16(15)29-2)4-8-19(25)30-11-18(24)22-20-21-14-6-5-13(23(26)27)10-17(14)31-20/h3-10H,11H2,1-2H3,(H,21,22,24)