[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C=CC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)/C=C/C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-11(2)9-20-18(24)21-15(22)10-25-16(23)8-7-14-17(19)12-5-3-4-6-13(12)26-14/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22,24)/b8-7+