ethyl (1Z)-2-(10-methylphenothiazin-3-yl)-N-sulfooxy-ethanimidothioate

Systemtic Name: ethyl (1Z)-2-(10-methylphenothiazin-3-yl)-N-sulfooxy-ethanimidothioate Openeye Name: ethyl (1Z)-2-(10-methylphenothiazin-3-yl)-N-sulfooxy-ethanimidothioate CAS Name: (1Z)-2-(10-methyl-3-phenothiazinyl)-N-sulfooxyethanimidothioic acid ethyl ester IUPAC Name: ethyl (1Z)-2-(10-methylphenothiazin-3-yl)-N-sulfooxyethanimidothioate Traditional Name: (1Z)-2-(10-methylphenothiazin-3-yl)-N-sulfoxy-thioacetimidic acid ethyl ester Formula: C17H18N2O4S3 MolecularWeight: 410.53082

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NOS(=O)(=O)O)CC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C

Isomeric SMILES

CCS/C(=N\OS(=O)(=O)O)/CC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C

InChI

InChI=1S/C17H18N2O4S3/c1-3-24-17(18-23-26(20,21)22)11-12-8-9-14-16(10-12)25-15-7-5-4-6-13(15)19(14)2/h4-10H,3,11H2,1-2H3,(H,20,21,22)/b18-17-