[2-oxidanylidene-2-(pentylamino)ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] (Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-2-propenoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C(=CC1=CC(=CC=C1)C)C2=CC=CS2

Isomeric SMILES

CCCCCNC(=O)COC(=O)/C(=C/C1=CC(=CC=C1)C)/C2=CC=CS2

InChI

InChI=1S/C21H25NO3S/c1-3-4-5-11-22-20(23)15-25-21(24)18(19-10-7-12-26-19)14-17-9-6-8-16(2)13-17/h6-10,12-14H,3-5,11,15H2,1-2H3,(H,22,23)/b18-14+