diethyl (2E)-2-[(E)-1-phenylsulfanylbut-2-enylidene]butanedioate

Systemtic Name: diethyl (2E)-2-[(E)-1-phenylsulfanylbut-2-enylidene]butanedioate Openeye Name: diethyl (2E)-2-[(E)-1-phenylsulfanylbut-2-enylidene]butanedioate CAS Name: (2E)-2-[(E)-1-(phenylthio)but-2-enylidene]butanedioic acid diethyl ester IUPAC Name: diethyl (2E)-2-[(E)-1-phenylsulfanylbut-2-enylidene]butanedioate Traditional Name: (2E)-2-[(E)-1-(phenylthio)but-2-enylidene]succinic acid diethyl ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C(C=CC)SC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C/C(=C(/C=C/C)\SC1=CC=CC=C1)/C(=O)OCC

InChI

InChI=1S/C18H22O4S/c1-4-10-16(23-14-11-8-7-9-12-14)15(18(20)22-6-3)13-17(19)21-5-2/h4,7-12H,5-6,13H2,1-3H3/b10-4+,16-15+