ethyl 4-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-5-propanoyloxy-thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-5-propanoyloxy-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)carbamothioylamino]-5-propanoyloxy-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-(1-oxopropoxy)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-propanoyloxythiophene-3-carboxylate Traditional Name: 4-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)thiocarbamoylamino]-5-propionyloxy-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O7S3 MolecularWeight: 521.58646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=C(S1)NC(=S)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCC(=O)OC1=C(C(=C(S1)NC(=S)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H19N3O7S3/c1-4-15(25)31-20-10(3)16(19(27)30-5-2)18(34-20)23-21(32)22-17(26)14-9-11-8-12(24(28)29)6-7-13(11)33-14/h6-9H,4-5H2,1-3H3,(H2,22,23,26,32)