methyl 4-[(E)-3-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(5-methylthiophen-2-yl)methyl-phenethylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(5-methyl-2-thienyl)methyl-phenethyl-amino]prop-1-enyl]benzoic acid methyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H25NO3S/c1-19-8-14-23(30-19)18-26(17-16-20-6-4-3-5-7-20)24(27)15-11-21-9-12-22(13-10-21)25(28)29-2/h3-15H,16-18H2,1-2H3/b15-11+