(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H12ClNO4S2 MolecularWeight: 393.86448

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C17H12ClNO4S2/c18-13-5-11(6-14-15(13)22-3-2-21-14)17(20)23-7-12-9-25-16(19-12)10-1-4-24-8-10/h1,4-6,8-9H,2-3,7H2