methyl 2-[[4-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)acetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)acetyl]amino]isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)CC(=O)NC3(CCNCC3)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)CC(=O)NC3(CCNCC3)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C21H26ClN3O5S/c1-12-14-9-13(22)3-4-16(14)31-17(12)10-18(27)25-21(5-7-23-8-6-21)20(29)24-15(11-26)19(28)30-2/h3-4,9,15,23,26H,5-8,10-11H2,1-2H3,(H,24,29)(H,25,27)