S-methyl 5-[(E)-1-(2,7-dimethyl-3-oxidanylidene-1,2-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate

Systemtic Name: S-methyl 5-[(E)-1-(2,7-dimethyl-3-oxidanylidene-1,2-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate Openeye Name: S-methyl 5-[(E)-1-(2,7-dimethyl-3-oxo-1,2-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-benzenecarbothioate CAS Name: 5-[(E)-1-(2,7-dimethyl-3-oxo-1,2-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-[(E)-1-(2,7-dimethyl-3-oxo-1,2-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methylbenzenecarbothioate Traditional Name: 5-[(E)-1-(3-keto-2,7-dimethyl-indoxazen-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-2-methoxy-3-methyl-thiobenzoic acid S-methyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)SC)C(=CCCCC2=NN=C(O2)C)C3=CC(=C4C(=C3)C(=O)N(O4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)SC)/C(=C/CCCC2=NN=C(O2)C)/C3=CC(=C4C(=C3)C(=O)N(O4)C)C

InChI

InChI=1S/C27H29N3O5S/c1-15-11-19(14-22(24(15)33-5)27(32)36-6)20(9-7-8-10-23-29-28-17(3)34-23)18-12-16(2)25-21(13-18)26(31)30(4)35-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+