dimethyl 3-[4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(indan-2-ylcarbamothioylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(2,3-dihydro-1H-inden-2-ylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(indan-2-ylthiocarbamoylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=S)NC2CC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=S)NC2CC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N4O4S/c1-27-18(25)9-17(10-19(26)28-2)24-12-16(11-21-24)23-20(29)22-15-7-13-5-3-4-6-14(13)8-15/h3-6,11-12,15,17H,7-10H2,1-2H3,(H2,22,23,29)