(5-nitrothiophen-2-yl)methyl N-[1-(chloromethyl)-3-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate

Systemtic Name: (5-nitrothiophen-2-yl)methyl N-[1-(chloromethyl)-3-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate Openeye Name: (5-nitro-2-thienyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate CAS Name: N-[1-(chloromethyl)-3-[oxo-(5,6,7-trimethoxy-1H-indol-2-yl)methyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamic acid (5-nitro-2-thiophenyl)methyl ester IUPAC Name: (5-nitrothiophen-2-yl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate Traditional Name: N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenz[e]indol-5-yl]carbamic acid (5-nitro-2-thienyl)methyl ester Formula: C31H27ClN4O8S MolecularWeight: 651.08608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(S6)[N+](=O)[O-])CCl)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(S6)[N+](=O)[O-])CCl)OC)OC

InChI

InChI=1S/C31H27ClN4O8S/c1-41-24-11-16-10-22(33-27(16)29(43-3)28(24)42-2)30(37)35-14-17(13-32)26-20-7-5-4-6-19(20)21(12-23(26)35)34-31(38)44-15-18-8-9-25(45-18)36(39)40/h4-12,17,33H,13-15H2,1-3H3,(H,34,38)