(4-oxidanylidene-5H-1,5-benzothiazepin-2-yl) N-prop-2-enylcarbamate

Systemtic Name: (4-oxidanylidene-5H-1,5-benzothiazepin-2-yl) N-prop-2-enylcarbamate Openeye Name: (4-oxo-5H-1,5-benzothiazepin-2-yl) N-allylcarbamate CAS Name: N-prop-2-enylcarbamic acid (4-oxo-5H-1,5-benzothiazepin-2-yl) ester IUPAC Name: (4-oxo-5H-1,5-benzothiazepin-2-yl) N-prop-2-enylcarbamate Traditional Name: N-allylcarbamic acid (4-keto-5H-1,5-benzothiazepin-2-yl) ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)OC1=CC(=O)NC2=CC=CC=C2S1

Isomeric SMILES

C=CCNC(=O)OC1=CC(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C13H12N2O3S/c1-2-7-14-13(17)18-12-8-11(16)15-9-5-3-4-6-10(9)19-12/h2-6,8H,1,7H2,(H,14,17)(H,15,16)