2-methylprop-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanoate

Systemtic Name: 2-methylprop-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanoate Openeye Name: 2-methylallyl 2-(ethoxycarbonylcarbamothioylamino)-2-[1-(p-tolylsulfonyl)indol-3-yl]acetate CAS Name: 2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-2-[1-(4-methylphenyl)sulfonyl-3-indolyl]acetic acid 2-methylprop-2-enyl ester IUPAC Name: 2-methylprop-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate Traditional Name: 2-(carbethoxythiocarbamoylamino)-2-(1-tosylindol-3-yl)acetic acid 2-methylallyl ester Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC(=C)C

Isomeric SMILES

CCOC(=O)NC(=S)NC(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC(=C)C

InChI

InChI=1S/C25H27N3O6S2/c1-5-33-25(30)27-24(35)26-22(23(29)34-15-16(2)3)20-14-28(21-9-7-6-8-19(20)21)36(31,32)18-12-10-17(4)11-13-18/h6-14,22H,2,5,15H2,1,3-4H3,(H2,26,27,30,35)