methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(prop-2-enylcarbamothioylamino)propanoate

Systemtic Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(prop-2-enylcarbamothioylamino)propanoate Openeye Name: methyl (3S)-3-(allylcarbamothioylamino)-3-(1,3-benzodioxol-5-yl)propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(prop-2-enylcarbamothioylamino)propanoate Traditional Name: (3S)-3-(allylthiocarbamoylamino)-3-(1,3-benzodioxol-5-yl)propionic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=S)NCC=C

InChI

InChI=1S/C15H18N2O4S/c1-3-6-16-15(22)17-11(8-14(18)19-2)10-4-5-12-13(7-10)21-9-20-12/h3-5,7,11H,1,6,8-9H2,2H3,(H2,16,17,22)/t11-/m0/s1