(6-methoxycarbonyl-7-methyl-3-phenylazanyl-thieno[3,2-b][1,4]thiazin-2-ylidene)-phenyl-azanium

Systemtic Name: (6-methoxycarbonyl-7-methyl-3-phenylazanyl-thieno[3,2-b][1,4]thiazin-2-ylidene)-phenyl-azanium Openeye Name: (3-anilino-6-methoxycarbonyl-7-methyl-thieno[3,2-b][1,4]thiazin-2-ylidene)-phenyl-ammonium CAS Name: (3-anilino-6-methoxycarbonyl-7-methyl-2-thieno[3,2-b][1,4]thiazinylidene)-phenylammonium IUPAC Name: (3-anilino-6-methoxycarbonyl-7-methylthieno[3,2-b][1,4]thiazin-2-ylidene)-phenylazanium Traditional Name: (3-anilino-6-carbomethoxy-7-methyl-thieno[3,2-b][1,4]thiazin-2-ylidene)-phenyl-ammonium Formula: C21H18N3O2S2+ MolecularWeight: 408.51652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1SC(=[NH+]C3=CC=CC=C3)C(=N2)NC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1SC(=[NH+]C3=CC=CC=C3)C(=N2)NC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O2S2/c1-13-16-19(28-17(13)21(25)26-2)24-18(22-14-9-5-3-6-10-14)20(27-16)23-15-11-7-4-8-12-15/h3-12H,1-2H3,(H,22,24)/p+1