methyl 2-[2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylsulfanyl]ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]ethylthio]ethoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethylsulfanyl]ethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylthio]ethoxycarbonylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H26ClN3O5S2 MolecularWeight: 560.08474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C26H26ClN3O5S2/c1-34-25(32)20(14-16-15-29-19-8-4-2-6-17(16)19)30-26(33)35-11-13-36-12-10-28-24(31)23-22(27)18-7-3-5-9-21(18)37-23/h2-9,15,20,29H,10-14H2,1H3,(H,28,31)(H,30,33)