(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) 2-phenylsulfanyl-2-prop-2-enyl-hept-6-ynoate

Systemtic Name: (4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) 2-phenylsulfanyl-2-prop-2-enyl-hept-6-ynoate Openeye Name: (4-methyl-2-thioxo-thiazol-3-yl) 2-allyl-2-phenylsulfanyl-hept-6-ynoate CAS Name: 2-(phenylthio)-2-prop-2-enyl-6-heptynoic acid (4-methyl-2-sulfanylidene-3-thiazolyl) ester IUPAC Name: (4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) 2-phenylsulfanyl-2-prop-2-enylhept-6-ynoate Traditional Name: 2-allyl-2-(phenylthio)hept-6-ynoic acid (4-methyl-2-thioxo-4-thiazolin-3-yl) ester Formula: C20H21NO2S3 MolecularWeight: 403.58124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=S)N1OC(=O)C(CCCC#C)(CC=C)SC2=CC=CC=C2

Isomeric SMILES

CC1=CSC(=S)N1OC(=O)C(CCCC#C)(CC=C)SC2=CC=CC=C2

InChI

InChI=1S/C20H21NO2S3/c1-4-6-10-14-20(13-5-2,26-17-11-8-7-9-12-17)18(22)23-21-16(3)15-25-19(21)24/h1,5,7-9,11-12,15H,2,6,10,13-14H2,3H3