methyl 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N(CC3=CC=CS3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N(CC3=CC=CS3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H22N2O5S/c1-30-25(29)20-15-26(21-7-3-2-6-19(20)21)16-24(28)27(14-18-5-4-12-33-18)17-8-9-22-23(13-17)32-11-10-31-22/h2-9,12-13,15H,10-11,14,16H2,1H3