2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [2-[(5-chloro-2-thienyl)methylthio]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C17H19ClNO3S2+ MolecularWeight: 384.92066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CSCC3=CC=C(S3)Cl)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CSCC3=CC=C(S3)Cl)CC2OC(=C1)O

InChI

InChI=1S/C17H18ClNO3S2/c1-10-6-17(21)22-14-7-11(2-4-13(10)14)19-16(20)9-23-8-12-3-5-15(18)24-12/h3,5-6,14,21H,2,4,7-9H2,1H3/p+1