ethyl 5-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(allylcarbamothioylamino)-5-methoxy-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 3-(allylthiocarbamoylamino)-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)NCC=C

InChI

InChI=1S/C16H19N3O3S/c1-4-8-17-16(23)19-13-11-9-10(21-3)6-7-12(11)18-14(13)15(20)22-5-2/h4,6-7,9,18H,1,5,8H2,2-3H3,(H2,17,19,23)