[(E)-(1-bromanyl-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-ylidene)amino] 4-chloranylbenzoate

Systemtic Name: [(E)-(1-bromanyl-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-ylidene)amino] 4-chloranylbenzoate Openeye Name: [(E)-(1-bromo-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-ylidene)amino] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(E)-[1-bromo-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-ylidene]amino] ester IUPAC Name: [(E)-(1-bromo-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-ylidene)amino] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(E)-[1-bromo-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-ylidene]amino] ester Formula: C18H17BrClNO2S2 MolecularWeight: 458.82008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=NOC(=O)C3=CC=C(C=C3)Cl)C1)SC)Br)C

Isomeric SMILES

CC1(CC2=C(SC(=C2/C(=N/OC(=O)C3=CC=C(C=C3)Cl)/C1)SC)Br)C

InChI

InChI=1S/C18H17BrClNO2S2/c1-18(2)8-12-14(17(24-3)25-15(12)19)13(9-18)21-23-16(22)10-4-6-11(20)7-5-10/h4-7H,8-9H2,1-3H3/b21-13+