2-[7-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C22H21N4O4S- MolecularWeight: 437.49154

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-25-11-14-9-13(7-8-15(14)23-17(22(25)30)10-20(27)28)21(29)26(2)12-19-24-16-5-3-4-6-18(16)31-19/h3-9,17,23H,10-12H2,1-2H3,(H,27,28)/p-1