methyl 7-[(3,4-diethoxyphenyl)methoxy]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-[(3,4-diethoxyphenyl)methoxy]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-[(3,4-diethoxyphenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-[(3,4-diethoxyphenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[(3,4-diethoxyphenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 7-(3,4-diethoxybenzyl)oxy-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C23H26O7S MolecularWeight: 446.51334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC)OCC

InChI

InChI=1S/C23H26O7S/c1-4-28-20-8-6-16(12-21(20)29-5-2)15-30-19-7-9-22-18(14-19)13-17(23(24)27-3)10-11-31(22,25)26/h6-9,12-14H,4-5,10-11,15H2,1-3H3