methyl 4-[[4-(dimethylamino)-1-(1H-indol-3-yl)-3-oxidanylidene-butan-2-yl]carbamoyl]-3-sulfanyl-heptanoate

Systemtic Name: methyl 4-[[4-(dimethylamino)-1-(1H-indol-3-yl)-3-oxidanylidene-butan-2-yl]carbamoyl]-3-sulfanyl-heptanoate Openeye Name: methyl 4-[[3-(dimethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-propyl]carbamoyl]-3-sulfanyl-heptanoate CAS Name: 4-[[[4-(dimethylamino)-1-(1H-indol-3-yl)-3-oxobutan-2-yl]amino]-oxomethyl]-3-mercaptoheptanoic acid methyl ester IUPAC Name: methyl 4-[[4-(dimethylamino)-1-(1H-indol-3-yl)-3-oxobutan-2-yl]carbamoyl]-3-sulfanylheptanoate Traditional Name: 4-[[3-(dimethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-propyl]carbamoyl]-3-mercapto-enanthic acid methyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(=O)OC)S)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)CN(C)C

Isomeric SMILES

CCCC(C(CC(=O)OC)S)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)CN(C)C

InChI

InChI=1S/C23H33N3O4S/c1-5-8-17(21(31)12-22(28)30-4)23(29)25-19(20(27)14-26(2)3)11-15-13-24-18-10-7-6-9-16(15)18/h6-7,9-10,13,17,19,21,24,31H,5,8,11-12,14H2,1-4H3,(H,25,29)