7-methoxy-1-methyl-2-[2-[(5-methyl-1,3,4-thiadiazol-3-ium-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinolin-6-olate

Systemtic Name: 7-methoxy-1-methyl-2-[2-[(5-methyl-1,3,4-thiadiazol-3-ium-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinolin-6-olate Openeye Name: 7-methoxy-1-methyl-2-[2-[(5-methyl-1,3,4-thiadiazol-3-ium-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinolin-6-olate CAS Name: 7-methoxy-1-methyl-2-[2-[(5-methyl-1,3,4-thiadiazol-3-ium-2-yl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-6-olate IUPAC Name: 7-methoxy-1-methyl-2-[2-[(5-methyl-1,3,4-thiadiazol-3-ium-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinolin-6-olate Traditional Name: 7-methoxy-1-methyl-2-[2-[(5-methyl-1,3,4-thiadiazol-3-ium-2-yl)thio]acetyl]-3,4-dihydro-1H-isoquinolin-6-olate Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=[NH+]N=C(S3)C)[O-])OC

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=[NH+]N=C(S3)C)[O-])OC

InChI

InChI=1S/C16H19N3O3S2/c1-9-12-7-14(22-3)13(20)6-11(12)4-5-19(9)15(21)8-23-16-18-17-10(2)24-16/h6-7,9,20H,4-5,8H2,1-3H3