ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S2/c1-2-26-20(25)14-8-9-15-16(12-14)29-21(22-15)23-19(24)17-18(28-11-10-27-17)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,22,23,24)