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

Systemtic Name: methyl 4-[(E)-3-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(5-chloro-2-thienyl)methyl-ethyl-amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(5-chloro-2-thiophenyl)methyl-ethylamino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[(5-chloro-2-thienyl)methyl-ethyl-amino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H18ClNO3S/c1-3-20(12-15-9-10-16(19)24-15)17(21)11-6-13-4-7-14(8-5-13)18(22)23-2/h4-11H,3,12H2,1-2H3/b11-6+