ethyl 3-[methyl-[[4-methyl-2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1,3-thiazol-5-yl]carbonyl]amino]propanoate

Systemtic Name: ethyl 3-[methyl-[[4-methyl-2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1,3-thiazol-5-yl]carbonyl]amino]propanoate Openeye Name: ethyl 3-[methyl-[4-methyl-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[methyl-[[4-methyl-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-5-thiazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[4-methyl-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]-4-methyl-thiazole-5-carbonyl]-methyl-amino]propionic acid ethyl ester Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C)C(=O)C1=C(N=C(S1)N2CCC(CC2)N3CCC4=CC=CC=C4NC3=O)C

Isomeric SMILES

CCOC(=O)CCN(C)C(=O)C1=C(N=C(S1)N2CCC(CC2)N3CCC4=CC=CC=C4NC3=O)C

InChI

InChI=1S/C25H33N5O4S/c1-4-34-21(31)12-13-28(3)23(32)22-17(2)26-25(35-22)29-14-10-19(11-15-29)30-16-9-18-7-5-6-8-20(18)27-24(30)33/h5-8,19H,4,9-16H2,1-3H3,(H,27,33)