methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)amino]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)amino]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-3-methyl-anilino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methylanilino)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-3-methylanilino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3-methyl-anilino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

InChI

InChI=1S/C18H19BrN2O3S/c1-10-8-11(6-7-13(10)19)20-9-15(22)21-17-16(18(23)24-2)12-4-3-5-14(12)25-17/h6-8,20H,3-5,9H2,1-2H3,(H,21,22)