methyl 4-(4,5-dimethyl-2-thiophen-2-yl-cyclohexa-1,4-dien-1-yl)sulfanylbenzoate

Systemtic Name: methyl 4-(4,5-dimethyl-2-thiophen-2-yl-cyclohexa-1,4-dien-1-yl)sulfanylbenzoate Openeye Name: methyl 4-[4,5-dimethyl-2-(2-thienyl)cyclohexa-1,4-dien-1-yl]sulfanylbenzoate CAS Name: 4-[(4,5-dimethyl-2-thiophen-2-yl-1-cyclohexa-1,4-dienyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(4,5-dimethyl-2-thiophen-2-ylcyclohexa-1,4-dien-1-yl)sulfanylbenzoate Traditional Name: 4-[[4,5-dimethyl-2-(2-thienyl)cyclohexa-1,4-dien-1-yl]thio]benzoic acid methyl ester Formula: C20H20O2S2 MolecularWeight: 356.5016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(C1)C2=CC=CS2)SC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(CC(=C(C1)C2=CC=CS2)SC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20O2S2/c1-13-11-17(18-5-4-10-23-18)19(12-14(13)2)24-16-8-6-15(7-9-16)20(21)22-3/h4-10H,11-12H2,1-3H3