[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C=CC1=CC=C(S1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)/C=C/C1=CC=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-3-14(2)20-18(21)13-23-19(22)12-10-16-9-11-17(24-16)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,21)/b12-10+