[(E)-(6-methyl-2,3-dihydrothiochromen-4-ylidene)amino] 3-methylbenzoate

Systemtic Name: [(E)-(6-methyl-2,3-dihydrothiochromen-4-ylidene)amino] 3-methylbenzoate Openeye Name: [(E)-(6-methylthiochroman-4-ylidene)amino] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(E)-(6-methyl-2,3-dihydro-1-benzothiopyran-4-ylidene)amino] ester IUPAC Name: [(E)-(6-methyl-2,3-dihydrothiochromen-4-ylidene)amino] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(E)-(6-methylthiochroman-4-ylidene)amino] ester Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCC2=NOC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC\2=C(C=C1)SCC/C2=N\OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C18H17NO2S/c1-12-4-3-5-14(10-12)18(20)21-19-16-8-9-22-17-7-6-13(2)11-15(16)17/h3-7,10-11H,8-9H2,1-2H3/b19-16+