[4-[[4-(2-methoxyphenyl)-1H-isothiochromen-3-yl]carbamoylamino]-2,6-dimethyl-phenyl] ethanoate

Systemtic Name: [4-[[4-(2-methoxyphenyl)-1H-isothiochromen-3-yl]carbamoylamino]-2,6-dimethyl-phenyl] ethanoate Openeye Name: [4-[[4-(2-methoxyphenyl)-1H-isothiochromen-3-yl]carbamoylamino]-2,6-dimethyl-phenyl] acetate CAS Name: acetic acid [4-[[[[4-(2-methoxyphenyl)-1H-2-benzothiopyran-3-yl]amino]-oxomethyl]amino]-2,6-dimethylphenyl] ester IUPAC Name: [4-[[4-(2-methoxyphenyl)-1H-isothiochromen-3-yl]carbamoylamino]-2,6-dimethylphenyl] acetate Traditional Name: acetic acid [4-[[4-(2-methoxyphenyl)-1H-isothiochromen-3-yl]carbamoylamino]-2,6-dimethyl-phenyl] ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)NC(=O)NC2=C(C3=CC=CC=C3CS2)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)NC(=O)NC2=C(C3=CC=CC=C3CS2)C4=CC=CC=C4OC

InChI

InChI=1S/C27H26N2O4S/c1-16-13-20(14-17(2)25(16)33-18(3)30)28-27(31)29-26-24(22-11-7-8-12-23(22)32-4)21-10-6-5-9-19(21)15-34-26/h5-14H,15H2,1-4H3,(H2,28,29,31)