(4-oxidanylidene-5H-1,5-benzothiazepin-2-yl) propylaminosulfanylmethanoate

Systemtic Name: (4-oxidanylidene-5H-1,5-benzothiazepin-2-yl) propylaminosulfanylmethanoate Openeye Name: (4-oxo-5H-1,5-benzothiazepin-2-yl) propylaminosulfanylformate CAS Name: (propylaminothio)formic acid (4-oxo-5H-1,5-benzothiazepin-2-yl) ester IUPAC Name: (4-oxo-5H-1,5-benzothiazepin-2-yl) propylaminosulfanylformate Traditional Name: (propylaminothio)formic acid (4-keto-5H-1,5-benzothiazepin-2-yl) ester Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCCNSC(=O)OC1=CC(=O)NC2=CC=CC=C2S1

Isomeric SMILES

CCCNSC(=O)OC1=CC(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S2/c1-2-7-14-20-13(17)18-12-8-11(16)15-9-5-3-4-6-10(9)19-12/h3-6,8,14H,2,7H2,1H3,(H,15,16)