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2-(8-carboxy-3-methylsulfanyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

2-(8-carboxy-3-methylsulfanyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name:2-(8-carboxy-3-methylsulfanyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate
Openeye Name:2-(8-carboxy-3-methylsulfanyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate
CAS Name:2-[8-carboxy-3-(methylthio)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
IUPAC Name:2-(8-carboxy-3-methylsulfanyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate
Traditional Name:2-[8-carboxy-3-(methylthio)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
Formula: C13H13N2O4S-
MolecularWeight: 293.31832
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NCC2=C(C=C(C=C2)C(=O)O)NC1CC(=O)[O-]


Isomeric SMILES

CSC1=NCC2=C(C=C(C=C2)C(=O)O)NC1CC(=O)[O-]


InChI

InChI=1S/C13H14N2O4S/c1-20-12-10(5-11(16)17)15-9-4-7(13(18)19)2-3-8(9)6-14-12/h2-4,10,15H,5-6H2,1H3,(H,16,17)(H,18,19)/p-1


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