[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3)OC

InChI

InChI=1S/C23H21NO6S/c1-27-18-8-7-14(9-19(18)28-2)11-24-21(25)13-30-23(26)20-10-15-12-29-17-6-4-3-5-16(17)22(15)31-20/h3-10H,11-13H2,1-2H3,(H,24,25)