ethyl 2-(furan-2-ylcarbonylamino)-4-sulfanylidene-6,7,8,9-tetrahydro-5H-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl 2-(furan-2-ylcarbonylamino)-4-sulfanylidene-6,7,8,9-tetrahydro-5H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl 2-(furan-2-carbonylamino)-4-thioxo-6,7,8,9-tetrahydro-5H-1,5-benzothiazepine-3-carboxylate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4-sulfanylidene-6,7,8,9-tetrahydro-5H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(furan-2-carbonylamino)-4-sulfanylidene-6,7,8,9-tetrahydro-5H-1,5-benzothiazepine-3-carboxylate Traditional Name: 2-(2-furoylamino)-4-thioxo-6,7,8,9-tetrahydro-5H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(CCCC2)NC1=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(CCCC2)NC1=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H18N2O4S2/c1-2-22-17(21)13-15(24)18-10-6-3-4-8-12(10)25-16(13)19-14(20)11-7-5-9-23-11/h5,7,9H,2-4,6,8H2,1H3,(H,18,24)(H,19,20)