3-methylbut-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-2-phenyl-ethanoate

Systemtic Name: 3-methylbut-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-2-phenyl-ethanoate Openeye Name: 3-methylbut-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-2-phenyl-acetate CAS Name: 2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-2-phenylacetic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-2-phenylacetate Traditional Name: 2-(carbethoxythiocarbamoylamino)-2-phenyl-acetic acid 3-methylbut-2-enyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC(C1=CC=CC=C1)C(=O)OCC=C(C)C

Isomeric SMILES

CCOC(=O)NC(=S)NC(C1=CC=CC=C1)C(=O)OCC=C(C)C

InChI

InChI=1S/C17H22N2O4S/c1-4-22-17(21)19-16(24)18-14(13-8-6-5-7-9-13)15(20)23-11-10-12(2)3/h5-10,14H,4,11H2,1-3H3,(H2,18,19,21,24)