2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4H-3,1-benzothiazine

Systemtic Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4H-3,1-benzothiazine Openeye Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methylsulfanyl]-4H-3,1-benzothiazine CAS Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-4H-3,1-benzothiazine IUPAC Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4H-3,1-benzothiazine Traditional Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methylthio]-4H-3,1-benzothiazine Formula: C21H20N2O2S3 MolecularWeight: 428.5907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4CS3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4CS3)OC

InChI

InChI=1S/C21H20N2O2S3/c1-3-25-18-9-8-14(10-19(18)24-2)20-22-16(12-26-20)13-28-21-23-17-7-5-4-6-15(17)11-27-21/h4-10,12H,3,11,13H2,1-2H3